Pub Date : 2025-02-01DOI: 10.1016/j.ssi.2024.116763
Haining Wang, Yueming Li, Kai Li, Fusheng Song, Yi Sun, Zhumei Wang
Using Sm2O3 as the samarium source, Li2CO3 as the Li+ doping source, and CS2 as the sulfur source, the yellow pigment Li+-doped γ-Sm2S3 was obtained by solid-phase reaction at 900 °C for 120 min. The effects of different molar ratios of Li and Sm (nLi/nSm = 0–0.20) on the phase composition, color state and temperature stability of γ-Sm2S3 were systematically studied. The structure and properties of the pigment were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and differential thermal gravimetric analysis (TG-DTA). The results showed that the pure α-Sm2S3 phase was obtained after vulcanization without adding Li+. When the ratio of nLi/nSm is 0.02–0.06, α phase and γ phase exist simultaneously. When the ratio of nLi/nSm is 0.08–0.20, α phase has been completely transformed to γ phase. With the increase of nLi/nSm, the color of the sample gradually changed from light green to yellow-green and then to yellow. When the ratio of nLi/nSm is 0.14, the yellowness value of the sample b* reached the highest (L* = 63.25, a* = 4.63, b* = 67.26).
{"title":"Effect of Li+ doping on the color performance and temperature stability of γ-Sm2S3","authors":"Haining Wang, Yueming Li, Kai Li, Fusheng Song, Yi Sun, Zhumei Wang","doi":"10.1016/j.ssi.2024.116763","DOIUrl":"10.1016/j.ssi.2024.116763","url":null,"abstract":"<div><div>Using Sm<sub>2</sub>O<sub>3</sub> as the samarium source, Li<sub>2</sub>CO<sub>3</sub> as the Li<sup>+</sup> doping source, and CS<sub>2</sub> as the sulfur source, the yellow pigment Li<sup>+</sup>-doped γ-Sm<sub>2</sub>S<sub>3</sub> was obtained by solid-phase reaction at 900 °C for 120 min. The effects of different molar ratios of Li and Sm (<em>n</em><sub>Li</sub>/<em>n</em><sub>Sm</sub> = 0–0.20) on the phase composition, color state and temperature stability of γ-Sm<sub>2</sub>S<sub>3</sub> were systematically studied. The structure and properties of the pigment were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and differential thermal gravimetric analysis (TG-DTA). The results showed that the pure α-Sm<sub>2</sub>S<sub>3</sub> phase was obtained after vulcanization without adding Li<sup>+</sup>. When the ratio of <em>n</em><sub>Li</sub>/<em>n</em><sub>Sm</sub> is 0.02–0.06, α phase and γ phase exist simultaneously. When the ratio of <em>n</em><sub>Li</sub>/<em>n</em><sub>Sm</sub> is 0.08–0.20, α phase has been completely transformed to γ phase. With the increase of <em>n</em><sub>Li</sub>/<em>n</em><sub>Sm</sub>, the color of the sample gradually changed from light green to yellow-green and then to yellow. When the ratio of <em>n</em><sub>Li</sub>/<em>n</em><sub>Sm</sub> is 0.14, the yellowness value of the sample <em>b</em>* reached the highest (<em>L</em>* = 63.25, <em>a</em>* = 4.63, <em>b</em>* = 67.26).</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"420 ","pages":"Article 116763"},"PeriodicalIF":3.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143169463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-01DOI: 10.1016/j.ssi.2024.116767
Kenza Maher, Ameni Boumaiza
We discovered that lithium-ion batteries (LIBs) retain a thermodynamic trace of their aging process, a phenomenon referred to here as the “aging memory effect.” This memory effect can be revealed by measuring the entropy and enthalpy of aged cells at two well-defined open-circuit potentials (OCP): = 3.87 V and = 3.94 V.
The study examined LIB cells consisting of graphite anode and lithium cobalt oxide (LCO) cathode. We observed that the variation in entropy and enthalpy at and , strongly depends on the cells' aging history. and correspond to the potential onset of the phase transitions in the anode and cathode materials, respectively. These phase transitions serve as critical indicators that reflect the internal alterations and degradation mechanisms occurring within the battery over time. By meticulously monitoring the entropy and enthalpy changes at and we can retrace the battery's aging memory and identify the capacity-limiting electrode. Our findings indicate that these thermodynamic measurements can provide detailed insights into the electrodes' degradation pathways and phase transition behaviors. This knowledge is crucial for developing strategies to enhance the longevity and performance of LIBs.
{"title":"Unveiling the aging memory effect in Lithium-ion batteries: A thermodynamic approach","authors":"Kenza Maher, Ameni Boumaiza","doi":"10.1016/j.ssi.2024.116767","DOIUrl":"10.1016/j.ssi.2024.116767","url":null,"abstract":"<div><div>We discovered that lithium-ion batteries (LIBs) retain a thermodynamic trace of their aging process, a phenomenon referred to here as the “aging memory effect.” This memory effect can be revealed by measuring the entropy and enthalpy of aged cells at two well-defined open-circuit potentials (OCP): <span><math><msubsup><mi>E</mi><mn>0</mn><mn>1</mn></msubsup></math></span> = 3.87 V and <span><math><msubsup><mi>E</mi><mn>0</mn><mn>2</mn></msubsup></math></span> = 3.94 V.</div><div>The study examined LIB cells consisting of graphite anode and lithium cobalt oxide (LCO) cathode. We observed that the variation in entropy and enthalpy at <span><math><msubsup><mi>E</mi><mn>0</mn><mn>1</mn></msubsup></math></span> and <span><math><msubsup><mi>E</mi><mn>0</mn><mn>2</mn></msubsup></math></span>, strongly depends on the cells' aging history. <span><math><msubsup><mi>E</mi><mn>0</mn><mn>1</mn></msubsup></math></span> and <span><math><msubsup><mi>E</mi><mn>0</mn><mn>2</mn></msubsup></math></span> correspond to the potential onset of the phase transitions in the anode and cathode materials, respectively. These phase transitions serve as critical indicators that reflect the internal alterations and degradation mechanisms occurring within the battery over time. By meticulously monitoring the entropy and enthalpy changes at <span><math><msubsup><mi>E</mi><mn>0</mn><mn>1</mn></msubsup><mspace></mspace></math></span>and <span><math><msubsup><mi>E</mi><mn>0</mn><mn>2</mn></msubsup><mo>,</mo></math></span> we can retrace the battery's aging memory and identify the capacity-limiting electrode. Our findings indicate that these thermodynamic measurements can provide detailed insights into the electrodes' degradation pathways and phase transition behaviors. This knowledge is crucial for developing strategies to enhance the longevity and performance of LIBs.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"420 ","pages":"Article 116767"},"PeriodicalIF":3.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143169464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-01DOI: 10.1016/j.ssi.2024.116780
Yanmei Zuo, Li Hua, Deqi Huang, Zhifang Zuo
Li2FeSiO4 has been regarded as a highly advanced cathode material for lithium energy storage because of its high theoretical capacity, good chemical stability and low cost. However, the low Li+ diffusion coefficient and poor electrical conductivity of pure Li2FeSiO4 result in bad rate capability and cyclic property. To address these problems, the designed sulfur-doped graphene-promoted Li2FeSiO4@C (abbreviated as SG-LFS@C) nanocomposite has been fabricated by a simple sol-gel technology and high-temperature solid-state reaction. Electrochemical tests demonstrate that the resulted SG-LFS@C displays superior lithium storage properties than Li2FeSiO4@C (abbreviated as LFS@C). The initial discharge capacities of SG-LFS@C were 260.7 and 139.1 mAh g−1 at 0.1 and 10C, respectively. Even after 400 cycles at 20C, the specific capacity of SG-LFS@C can still reach 116.5 mAh g−1 with the capacity retention rate of 94.9 %. The superior lithium storage performances for SG-LFS@C cathode are mainly attributed to the designed conductive nanostructures and the formed nanosized Li2FeSiO4 particles. Thus, this novel concept provides a new direction for further research on other lithium-ion batteries cathode materials.
{"title":"Sulfur-doped graphene-decorated Li2FeSiO4@C nanocomposite: A novel cathode material for lithium energy storage","authors":"Yanmei Zuo, Li Hua, Deqi Huang, Zhifang Zuo","doi":"10.1016/j.ssi.2024.116780","DOIUrl":"10.1016/j.ssi.2024.116780","url":null,"abstract":"<div><div>Li<sub>2</sub>FeSiO<sub>4</sub> has been regarded as a highly advanced cathode material for lithium energy storage because of its high theoretical capacity, good chemical stability and low cost. However, the low Li<sup>+</sup> diffusion coefficient and poor electrical conductivity of pure Li<sub>2</sub>FeSiO<sub>4</sub> result in bad rate capability and cyclic property. To address these problems, the designed sulfur-doped graphene-promoted Li<sub>2</sub>FeSiO<sub>4</sub>@C (abbreviated as SG-LFS@C) nanocomposite has been fabricated by a simple sol-gel technology and high-temperature solid-state reaction. Electrochemical tests demonstrate that the resulted SG-LFS@C displays superior lithium storage properties than Li<sub>2</sub>FeSiO<sub>4</sub>@C (abbreviated as LFS@C). The initial discharge capacities of SG-LFS@C were 260.7 and 139.1 mAh g<sup>−1</sup> at 0.1 and 10C, respectively. Even after 400 cycles at 20C, the specific capacity of SG-LFS@C can still reach 116.5 mAh g<sup>−1</sup> with the capacity retention rate of 94.9 %. The superior lithium storage performances for SG-LFS@C cathode are mainly attributed to the designed conductive nanostructures and the formed nanosized Li<sub>2</sub>FeSiO<sub>4</sub> particles. Thus, this novel concept provides a new direction for further research on other lithium-ion batteries cathode materials.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"420 ","pages":"Article 116780"},"PeriodicalIF":3.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143168761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Garnet-type crystalline Li7La3Zr2O12 (LLZs) is an oxide-based electrolyte (SE) that exhibits high ionic conductivity at room temperature. However, the LLZs green compact exhibits a remarkably low conductivity owing to the challenges in deforming LLZ particles using solely cold-pressing. Therefore, the ionic conduction path becomes extremely narrow in point contact, resulting in increased grain boundary resistance. We proposed the realization of a green compact with high ionic conductivity and a large area by combining the antiperovskite-like crystal Li2OHBr as a soft SE and LLZs as a highly conductive hard SE. In this study, highly lithium-ion-conductive composites of LLZs and antiperovskite-like crystal Li2OHBr were prepared using ball milling. The composite powders were then palletized via uniaxial pressing at room temperature. Cross-sectional scanning electron microscopy images of the green compact revealed the presence of Li2OHBr phases in the voids of LLZs particles. The total conductivity of the obtained 30 vol% Li2OHBr-LLZ green compact was 7.1 × 10−5 S cm−1 at 60 °C. Moreover, sintering-free oxide-based all-solid-state battery was successfully fabricated using the 50 vol% Li2OHBr-LLZs composite and LiFePO4 to obtain a reversible capacity of approximately 90 mAh g−1.
{"title":"Interface formation by composite electrolytes using Li7La3Zr2O12 / Li2OHBr for bulk-type sintering-free oxide-based all-solid-state batteries","authors":"Yusuke Taniguchi , Mari Yamamoto , Atsutaka Kato , Masanari Takahashi","doi":"10.1016/j.ssi.2024.116770","DOIUrl":"10.1016/j.ssi.2024.116770","url":null,"abstract":"<div><div>Garnet-type crystalline Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> (LLZs) is an oxide-based electrolyte (SE) that exhibits high ionic conductivity at room temperature. However, the LLZs green compact exhibits a remarkably low conductivity owing to the challenges in deforming LLZ particles using solely cold-pressing. Therefore, the ionic conduction path becomes extremely narrow in point contact, resulting in increased grain boundary resistance. We proposed the realization of a green compact with high ionic conductivity and a large area by combining the antiperovskite-like crystal Li<sub>2</sub>OHBr as a soft SE and LLZs as a highly conductive hard SE. In this study, highly lithium-ion-conductive composites of LLZs and antiperovskite-like crystal Li<sub>2</sub>OHBr were prepared using ball milling. The composite powders were then palletized via uniaxial pressing at room temperature. Cross-sectional scanning electron microscopy images of the green compact revealed the presence of Li<sub>2</sub>OHBr phases in the voids of LLZs particles. The total conductivity of the obtained 30 vol% Li<sub>2</sub>OHBr-LLZ green compact was 7.1 × 10<sup>−5</sup> S cm<sup>−1</sup> at 60 °C. Moreover, sintering-free oxide-based all-solid-state battery was successfully fabricated using the 50 vol% Li<sub>2</sub>OHBr-LLZs composite and LiFePO<sub>4</sub> to obtain a reversible capacity of approximately 90 mAh g<sup>−1</sup>.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"420 ","pages":"Article 116770"},"PeriodicalIF":3.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143169446","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-31DOI: 10.1016/j.ssi.2025.116790
Hao Luo , Chengze Li , Wenxiang Sheng , Weimin Yuan , Xiao Chen , Qianqian Ma , Xiaowu Li , Zhenjie Sun , Peng Li
Aqueous zinc-ion batteries (AZIBs) have been the subject of considerable research due to their safety and energy density, but these processes are constrained by the growth of dendrites and interfacial side reactions. Herein, a three-dimensional cross-linked polypyrrole and microcrystalline cellulose (PPy/MCC) composites are fabricated through the force of hydrogen bonding on the surface of zinc anodes. The distinctive cross-linking conductive network could enhance the Zn2+ transport process and storage, ensuring uniform charge distribution and further elevating the Zn2+ transference number. The abundant functional groups of PPy/MCC offer numerous zincophilic nucleation sites thereby promoting uniform zinc deposition. Additionally, the hydrophobic PPy/MCC coating acts as a barrier, shielding the zinc anode from the aqueous electrolyte and effectively inhibiting side reactions like corrosion and hydrogen production. Consequently, the zinc anode coated with the PPy/MCC layer (PPy/MCC@Zn) achieves steady and reversible Zn cycling. The PPy/MCC@Zn//PPy/MCC@Zn symmetric batteries harvest a long cycling stability exceeding 3400 h at a current density of 1 mA cm−2, 1 mAh cm−2. The PPy/MCC@Zn//Cu battery achieves a remarkable average Coulombic efficiency (CE) of 99.48 % at 2 mA cm−2, 2 mAh cm−2. The practical full battery, coupled with the I2- activated carbon (AC) cathode, also demonstrates stable performance over 4000 cycles.
{"title":"Three-dimensional cross-linked interface with high ionic transference number and electrical conductivity for high-performance aqueous Zn-ion batteries","authors":"Hao Luo , Chengze Li , Wenxiang Sheng , Weimin Yuan , Xiao Chen , Qianqian Ma , Xiaowu Li , Zhenjie Sun , Peng Li","doi":"10.1016/j.ssi.2025.116790","DOIUrl":"10.1016/j.ssi.2025.116790","url":null,"abstract":"<div><div>Aqueous zinc-ion batteries (AZIBs) have been the subject of considerable research due to their safety and energy density, but these processes are constrained by the growth of dendrites and interfacial side reactions. Herein, a three-dimensional cross-linked polypyrrole and microcrystalline cellulose (PPy/MCC) composites are fabricated through the force of hydrogen bonding on the surface of zinc anodes. The distinctive cross-linking conductive network could enhance the Zn<sup>2+</sup> transport process and storage, ensuring uniform charge distribution and further elevating the Zn<sup>2+</sup> transference number. The abundant functional groups of PPy/MCC offer numerous zincophilic nucleation sites thereby promoting uniform zinc deposition. Additionally, the hydrophobic PPy/MCC coating acts as a barrier, shielding the zinc anode from the aqueous electrolyte and effectively inhibiting side reactions like corrosion and hydrogen production. Consequently, the zinc anode coated with the PPy/MCC layer (PPy/MCC@Zn) achieves steady and reversible Zn cycling. The PPy/MCC@Zn//PPy/MCC@Zn symmetric batteries harvest a long cycling stability exceeding 3400 h at a current density of 1 mA cm<sup>−2</sup>, 1 mAh cm<sup>−2</sup>. The PPy/MCC@Zn//Cu battery achieves a remarkable average Coulombic efficiency (CE) of 99.48 % at 2 mA cm<sup>−2</sup>, 2 mAh cm<sup>−2</sup>. The practical full battery, coupled with the I<sub>2</sub>- activated carbon (AC) cathode, also demonstrates stable performance over 4000 cycles.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"421 ","pages":"Article 116790"},"PeriodicalIF":3.0,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143131186","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-29DOI: 10.1016/j.ssi.2025.116789
Wakako Araki , Kiminori Saito , Yoshio Arai
We have investigated the deformation of and Li-ion migration in Li–La–Ti–O (LLTiO) under various uniaxial stresses by first-principles calculations. Structural analysis showed after relaxation, LLTiO without stress possesses a distorted lattice with the displacement of Li ion and tilting of the TiO6 octahedrons. Migration analysis without stress showed that the Li ion can migrate via its equivalent sites with an energy barrier of 0.31–0.37 eV. In addition, the energy becomes high when the Li ion migrates through bottlenecks, and also when the migration is accompanied by significant changes in the tilt angles of the octahedrons. Mechanical and migration analyses under uniaxial stresses along the z axis showed that the tensile stress reduces the lattice distortion, which remarkably affects the Li-ion migration, while the effect of stress on the Li-ion migration varies depending on the path. The current results suggest that an appropriate configuration of the ions and controlling the stress could possibly improve the Li-ion migration in LLTiO, but stress could also have a detrimental effect on the Li-ion migration.
{"title":"First-principles study of the deformation and migration mechanisms of Li–La–Ti–O perovskite under uniaxial stress","authors":"Wakako Araki , Kiminori Saito , Yoshio Arai","doi":"10.1016/j.ssi.2025.116789","DOIUrl":"10.1016/j.ssi.2025.116789","url":null,"abstract":"<div><div>We have investigated the deformation of and Li-ion migration in Li–La–Ti–O (LLTiO) under various uniaxial stresses by first-principles calculations. Structural analysis showed after relaxation, LLTiO without stress possesses a distorted lattice with the displacement of Li ion and tilting of the TiO<sub>6</sub> octahedrons. Migration analysis without stress showed that the Li ion can migrate via its equivalent sites with an energy barrier of 0.31–0.37 eV. In addition, the energy becomes high when the Li ion migrates through bottlenecks, and also when the migration is accompanied by significant changes in the tilt angles of the octahedrons. Mechanical and migration analyses under uniaxial stresses along the <em>z</em> axis showed that the tensile stress reduces the lattice distortion, which remarkably affects the Li-ion migration, while the effect of stress on the Li-ion migration varies depending on the path. The current results suggest that an appropriate configuration of the ions and controlling the stress could possibly improve the Li-ion migration in LLTiO, but stress could also have a detrimental effect on the Li-ion migration.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"421 ","pages":"Article 116789"},"PeriodicalIF":3.0,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143131184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-28DOI: 10.1016/j.ssi.2025.116787
Daniel Mutter , Diego A. Pantano , Christian Elsässer , Daniel F. Urban
Li containing transition metal oxides are known as good ionic conductors. Performing classical molecular dynamics simulations, the diffusion behavior of Li ions is investigated in crystalline and amorphous phases with the stoichiometries Li2ZrO3 and LiNbO3. We first demonstrate the stability of the crystal structures for the used interatomic potential model and then analyze the amorphous phases, which result from melt-and-quench simulations, in terms of radial distribution functions. Diffusivities of Li ions in those systems are obtained from a statistical Arrhenius analysis of mean square displacement curves at different temperatures. The crystalline phase of Li2ZrO3 exhibits two well-defined migration mechanisms: vacancy-mediated migration is dominant below and a site exchange of Li ions above a crossover region between about 1700 and 1800 K. The latter mechanism also prevails in the amorphous phases of Li2ZrO3 with a strongly reduced activation energy, which is due to a smaller equilibrium separation of Li ions as in the crystal structure. This migration mechanism is found in amorphous LiNbO3, too.
{"title":"Diffusion behavior of Li ions in crystalline and amorphous Li-Zr-O and Li-Nb-O phases","authors":"Daniel Mutter , Diego A. Pantano , Christian Elsässer , Daniel F. Urban","doi":"10.1016/j.ssi.2025.116787","DOIUrl":"10.1016/j.ssi.2025.116787","url":null,"abstract":"<div><div>Li containing transition metal oxides are known as good ionic conductors. Performing classical molecular dynamics simulations, the diffusion behavior of Li ions is investigated in crystalline and amorphous phases with the stoichiometries Li<sub>2</sub>ZrO<sub>3</sub> and LiNbO<sub>3</sub>. We first demonstrate the stability of the crystal structures for the used interatomic potential model and then analyze the amorphous phases, which result from melt-and-quench simulations, in terms of radial distribution functions. Diffusivities of Li ions in those systems are obtained from a statistical Arrhenius analysis of mean square displacement curves at different temperatures. The crystalline phase of Li<sub>2</sub>ZrO<sub>3</sub> exhibits two well-defined migration mechanisms: vacancy-mediated migration is dominant below and a site exchange of Li ions above a crossover region between about 1700 and 1800 K. The latter mechanism also prevails in the amorphous phases of Li<sub>2</sub>ZrO<sub>3</sub> with a strongly reduced activation energy, which is due to a smaller equilibrium separation of Li ions as in the crystal structure. This migration mechanism is found in amorphous LiNbO<sub>3</sub>, too.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"421 ","pages":"Article 116787"},"PeriodicalIF":3.0,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143131187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-27DOI: 10.1016/j.ssi.2025.116784
Haseebul Hassan , Sidra Mumtaz , M. Waqas Iqbal , Amir Muhammad Afzal , Tahmina Yaseen , Muhammad Arslan Sunny , Saikh Mohammad , Nouf H. Alotaibi , Mumtaz Manzoor
In the pursuit of developing electrode materials with versatile uses, including energy storage as well as facilitating the hydrogen evolution reaction (HER), extensive research efforts have been dedicated to this domain. A novel composite of V2O5@MoS2 has been synthesized within this study and employed in asymmetric supercapacitors. The V2O5@MoS2 electrode demonstrated a remarkable of 1735C/g at a current density of 2.0 A/g through a comprehensive three-cell investigation. Remarkably, substantial specific surface area of 79.32 m2/g, was detected, ascertained through BET measurement, significantly augmenting its electrochemical performance. Showcasing specific charge capacity (Qs) of 312C/g, furthermore, the V2O5@MoS2 composite was utilized in constructing the supercapattery device. Impressively, the device V2O5@MoS2//AC delivered 57 Wh/kg energy at 1050 W/kg power density. Remarkably, attesting to its exceptional cyclic stability, the V2O5@MoS2 device retained 95 % of its initial capacity, after undergoing 12,000 charge-discharge cycles. Moreover, the V2O5@MoS2 composite demonstrated the lowest overpotential compared to 102 mV composites evaluated in a hydrogen evolution reaction (HER). This underscores the outstanding catalytic activity of the V2O5@MoS2 electrode for HER applications, further validating its potential for utilization in energy storage devices.
{"title":"Revolutionizing energy: Vanadium pentoxide (V2O5) and molybdenum disulfide (MoS2) composite incorporated with GQDs as a dual-purpose material for supercapacitors and hydrogen evolution","authors":"Haseebul Hassan , Sidra Mumtaz , M. Waqas Iqbal , Amir Muhammad Afzal , Tahmina Yaseen , Muhammad Arslan Sunny , Saikh Mohammad , Nouf H. Alotaibi , Mumtaz Manzoor","doi":"10.1016/j.ssi.2025.116784","DOIUrl":"10.1016/j.ssi.2025.116784","url":null,"abstract":"<div><div>In the pursuit of developing electrode materials with versatile uses, including energy storage as well as facilitating the hydrogen evolution reaction (HER), extensive research efforts have been dedicated to this domain. A novel composite of V<sub>2</sub>O<sub>5</sub>@MoS<sub>2</sub> has been synthesized within this study and employed in asymmetric supercapacitors. The V<sub>2</sub>O<sub>5</sub>@MoS<sub>2</sub> electrode demonstrated a remarkable <span><math><mi>Cs</mi></math></span> of 1735C/g at a current density of 2.0 A/g through a comprehensive three-cell investigation. Remarkably, substantial specific surface area of 79.32 m<sup>2</sup>/g, was detected, ascertained through BET measurement, significantly augmenting its electrochemical performance. Showcasing specific charge capacity (Qs) of 312C/g, furthermore, the V<sub>2</sub>O<sub>5</sub>@MoS<sub>2</sub> composite was utilized in constructing the supercapattery device. Impressively, the device V<sub>2</sub>O<sub>5</sub>@MoS<sub>2</sub>//AC delivered 57 Wh/kg energy at 1050 W/kg power density. Remarkably, attesting to its exceptional cyclic stability, the V<sub>2</sub>O<sub>5</sub>@MoS<sub>2</sub> device retained 95 % of its initial capacity, after undergoing 12,000 charge-discharge cycles. Moreover, the V<sub>2</sub>O<sub>5</sub>@MoS<sub>2</sub> composite demonstrated the lowest overpotential compared to 102 mV composites evaluated in a hydrogen evolution reaction (HER). This underscores the outstanding catalytic activity of the V<sub>2</sub>O<sub>5</sub>@MoS<sub>2</sub> electrode for HER applications, further validating its potential for utilization in energy storage devices.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"421 ","pages":"Article 116784"},"PeriodicalIF":3.0,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143131183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-01DOI: 10.1016/j.ssi.2024.116746
Shuo Yan , Xiaopeng Li , Shifeng Wang , Xing Liu , Xianjin Hu , Mengyu Liang , Ting-Ting Li , Jie Chen
Flexible pressure sensors, characterized by the high sensitivity and broad detection range, have gathered significant interest for applications in wearable electronics and human-machine interfaces. Despite their potential, the development of such sensors remains a formidable challenge. In this study, we report the fabrication of a flexible, highly sensitive piezoresistive sensor featuring a pleated architecture. This sensor was crafted from thermoplastic polyurethane (TPU) as the base material and a spun film serving as the flexible substrate, utilizing an electrospinning technique. The integration of MXene, which was subjected to structural optimization via alkaline treatment with sodium hydroxide (NaOH), was achieved through an impregnation and coating process onto the TPU film. The resulting MXene-composite sensor exhibits remarkable sensitivity (2.88 kP−1), an extensive detection range (up to 300 kPa), rapid response time (100 ms), and superior stability over more than 5000 cycles. The sensor's versatility is demonstrated through its successful deployment in capturing a variety of physiological signals from the human body, such as pulse, respiration, and swallowing, as well as in monitoring full-body motion in real-time, including movements of the fingers, wrist, and sole of the foot. Furthermore, its application as a component of flexible electronic skin underscores its immense potential for integration into physiological analysis systems, humanoid robotics, and biomedical prosthetics.
{"title":"Flexible piezoresistive sensors with high sensitivity and ultra-wide pressure range based on alkalized MXene","authors":"Shuo Yan , Xiaopeng Li , Shifeng Wang , Xing Liu , Xianjin Hu , Mengyu Liang , Ting-Ting Li , Jie Chen","doi":"10.1016/j.ssi.2024.116746","DOIUrl":"10.1016/j.ssi.2024.116746","url":null,"abstract":"<div><div>Flexible pressure sensors, characterized by the high sensitivity and broad detection range, have gathered significant interest for applications in wearable electronics and human-machine interfaces. Despite their potential, the development of such sensors remains a formidable challenge. In this study, we report the fabrication of a flexible, highly sensitive piezoresistive sensor featuring a pleated architecture. This sensor was crafted from thermoplastic polyurethane (TPU) as the base material and a spun film serving as the flexible substrate, utilizing an electrospinning technique. The integration of MXene, which was subjected to structural optimization via alkaline treatment with sodium hydroxide (NaOH), was achieved through an impregnation and coating process onto the TPU film. The resulting MXene-composite sensor exhibits remarkable sensitivity (2.88 kP<sup>−1</sup>), an extensive detection range (up to 300 kPa), rapid response time (100 ms), and superior stability over more than 5000 cycles. The sensor's versatility is demonstrated through its successful deployment in capturing a variety of physiological signals from the human body, such as pulse, respiration, and swallowing, as well as in monitoring full-body motion in real-time, including movements of the fingers, wrist, and sole of the foot. Furthermore, its application as a component of flexible electronic skin underscores its immense potential for integration into physiological analysis systems, humanoid robotics, and biomedical prosthetics.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"419 ","pages":"Article 116746"},"PeriodicalIF":3.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143146173","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In the pursuit of advancing sodium-ion batteries (SIBs) technology as high-potential alternatives for lithium-ion batteries (LIBs), we were investigated the potential of M-graphene as an encouraging anode material using DFT-D calculations. The density of states (DOS) plot and band structure reveal that M-graphene with a zero-band gap indicates its metallic nature which is beneficial for electrical conductivity in redox reactions. The migration of sodium ions on the M-graphene surface was explored along two plausible paths. The calculated diffusion energy barrier indicated a remarkably low value of 0.29 and 0.27 eV, suggesting efficient ion migration. This kinetic favorability is critical for high-rate battery applications. Cohesive energy calculations were illustrated the thermodynamic stability of the adsorbed structure in different sodium concentrations. Ab initio molecular dynamics (AIMD) calculations demonstrated the thermal stability of fully adsorbed structure at 300 K. Furthermore, M-graphene demonstrates an impressive theoretical capacity of 1395 mAh g−1, which is significantly higher than traditional anode materials. The average open-circuit voltage (OCV) is determined to be 0.79 V which is in the SIBs potential range. We found that although the induction of a defect in the structure does not change the metallic properties, it affects the adsorption behavior of M-graphene. These findings underscore M-graphene's substantial capacity and low energy barrier for ion diffusion, marking it as a viable candidate for high-performance SIBs.
{"title":"Exploring a metal coated by M-graphene as an encouraging anode electrode material for sodium-ion batteries using DFT calculations","authors":"Shaymaa Abed Hussein , Abdulkhalaq Fawzy Hamood , Vicky Jain , Pawan Sharma , Abhishek Kumar , K. Phaninder Vinay , Uday Raheja , Yazen M. Alawaideh , Azath Mubarakali","doi":"10.1016/j.ssi.2024.116762","DOIUrl":"10.1016/j.ssi.2024.116762","url":null,"abstract":"<div><div>In the pursuit of advancing sodium-ion batteries (SIBs) technology as high-potential alternatives for lithium-ion batteries (LIBs), we were investigated the potential of M-graphene as an encouraging anode material using DFT-D calculations. The density of states (DOS) plot and band structure reveal that M-graphene with a zero-band gap indicates its metallic nature which is beneficial for electrical conductivity in redox reactions. The migration of sodium ions on the M-graphene surface was explored along two plausible paths. The calculated diffusion energy barrier indicated a remarkably low value of 0.29 and 0.27 eV, suggesting efficient ion migration. This kinetic favorability is critical for high-rate battery applications. Cohesive energy calculations were illustrated the thermodynamic stability of the adsorbed structure in different sodium concentrations. Ab initio molecular dynamics (AIMD) calculations demonstrated the thermal stability of fully adsorbed structure at 300 K. Furthermore, M-graphene demonstrates an impressive theoretical capacity of 1395 mAh g<sup>−1</sup>, which is significantly higher than traditional anode materials. The average open-circuit voltage (OCV) is determined to be 0.79 V which is in the SIBs potential range. We found that although the induction of a defect in the structure does not change the metallic properties, it affects the adsorption behavior of M-graphene. These findings underscore M-graphene's substantial capacity and low energy barrier for ion diffusion, marking it as a viable candidate for high-performance SIBs.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"419 ","pages":"Article 116762"},"PeriodicalIF":3.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143146613","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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